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2-{[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetamide
SpectraBase Compound ID GG7q40c2Kkx
InChI InChI=1S/C16H12F3N3O2S/c1-24-10-4-2-3-9(5-10)13-6-12(16(17,18)19)11(7-20)15(22-13)25-8-14(21)23/h2-6H,8H2,1H3,(H2,21,23)
InChIKey PDPBRBBSQVMFJO-UHFFFAOYSA-N
Mol Weight 367.35 g/mol
Molecular Formula C16H12F3N3O2S
Exact Mass 367.060232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HJrUIdLCHNG
Name 2-{[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H12F3N3O2S/c1-24-10-4-2-3-9(5-10)13-6-12(16(17,18)19)11(7-20)15(22-13)25-8-14(21)23/h2-6H,8H2,1H3,(H2,21,23)
InChIKey PDPBRBBSQVMFJO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9760
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D60485; Labnumber: SHES3-0159; SBI_ID: SBI-009763
Temperature 308 °C